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With massive amounts of atomic simulation data available, there is a huge opportunity to develop fast and accurate machine learning models to approximate expensive physics-based calculations. The key quantity to estimate is atomic forces,…

Positional Encoder Graph Neural Networks (PE-GNNs) are among the most effective models for learning from continuous spatial data. However, their predictive distributions are often poorly calibrated, limiting their utility in applications…

Parameterized quantum circuits play a key role in quantum computing. Measuring the suitability of such a circuit for solving a class of problems is needed. One such promising measure is the expressivity of a circuit, which is defined in two…

Quantum Physics · Physics 2025-09-09 Johanna Barzen , Frank Leymann

Quantum error correction is essential for achieving fault-tolerant quantum computation. However, most typical quantum error-correcting codes are designed for generic noise models, which may fail to accurately capture the intricate noise…

Quantum Physics · Physics 2026-05-21 Yuguo Shao , Yong-Chang Li , Fuchuan Wei , Hao Zhan , Ben Wang , Zhaohui Wei , Lijian Zhang , Zhengwei Liu

Graph convolutional neural networks~(GCNs) have recently demonstrated promising results on graph-based semi-supervised classification, but little work has been done to explore their theoretical properties. Recently, several deep neural…

Machine Learning · Computer Science 2020-02-28 Jilin Hu , Jianbing Shen , Bin Yang , Ling Shao

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Machine Learning · Computer Science 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

Quantum machine learning (QML) based on Noisy Intermediate-Scale Quantum (NISQ) devices hinges on the optimal utilization of limited quantum resources. While gate-based QML models are user-friendly for software engineers, their expressivity…

Quantum Physics · Physics 2024-06-27 Han-Xiao Tao , Jiaqi Hu , Re-Bing Wu

Probabilistic graphical models such as Bayesian networks are widely used to model stochastic systems to perform various types of analysis such as probabilistic prediction, risk analysis, and system health monitoring, which can become…

Quantum-mechanical phenomena are playing an increasing role in information processing, as transistor sizes approach the nanometer level, and quantum circuits and data encoding methods appear in the securest forms of communication.…

Quantum Physics · Physics 2009-11-10 George F. Viamontes , Igor L. Markov , John P. Hayes

Quantum convolutional neural networks (QCNNs) offer a promising architecture for near-term quantum machine learning by combining hierarchical feature extraction with modest parameter growth. However, any QCNN operating on classical data…

Quantum Physics · Physics 2025-12-16 Xingyun Feng

Parameterized Quantum Circuits (PQCs) have been acknowledged as a leading strategy to utilize near-term quantum advantages in multiple problems, including machine learning and combinatorial optimization. When applied to specific tasks, the…

We present results concerning the expressiveness and decidability of a popular graph learning formalism, graph neural networks (GNNs), exploiting connections with logic. We use a family of recently-discovered decidable logics involving…

Logic in Computer Science · Computer Science 2025-01-31 Michael Benedikt , Chia-Hsuan Lu , Tony Tan

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

Graph Neural Networks (GNNs) have become essential for handling large-scale graph applications. However, the computational demands of GNNs necessitate the development of efficient methods to accelerate inference. Mixed precision…

Machine Learning · Computer Science 2025-05-15 Samir Moustafa , Nils M. Kriege , Wilfried N. Gansterer

Variational quantum algorithms (VQAs) offer the most promising path to obtaining quantum advantages via noisy intermediate-scale quantum (NISQ) processors. Such systems leverage classical optimization to tune the parameters of a…

Quantum Physics · Physics 2022-09-26 Sharu Theresa Jose , Osvaldo Simeone

As phasor measurement units (PMUs) become more widely used in transmission power systems, a fast state estimation (SE) algorithm that can take advantage of their high sample rates is needed. To accomplish this, we present a method that uses…

Machine Learning · Computer Science 2026-03-09 Ognjen Kundacina , Mirsad Cosovic , Dragisa Miskovic , Dejan Vukobratovic

Numerous quantum algorithms operate under the assumption that classical data has already been converted into quantum states, a process termed Quantum State Preparation (QSP). However, achieving precise QSP requires a circuit depth that…

Quantum Physics · Physics 2024-08-13 Yilun Zhao , Bingmeng Wang , Wenle Jiang , Xiwei Pan , Bing Li , Yinhe Han , Ying Wang

Graph Neural Networks (GNNs) have demonstrated superior performance on various graph learning tasks, including recommendation, where they leverage user-item collaborative filtering signals in graphs. However, theoretical formulations of…

Information Retrieval · Computer Science 2023-09-19 Xuheng Cai , Lianghao Xia , Xubin Ren , Chao Huang

Linear optical architectures have been extensively investigated for quantum computing and quantum machine learning applications. Recently, proposals for photonic quantum machine learning have combined linear optics with resource adaptivity,…

Approximate computing offers promising energy efficiency benefits for error-tolerant applications, but discovering optimal approximations requires extensive design space exploration (DSE). Predicting the accuracy of circuits composed of…

Hardware Architecture · Computer Science 2026-03-20 Ondrej Vlcek , Vojtech Mrazek